3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride

C14H29ClN2O2 — CID 120502267

IUPAC3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-9(2)13-12(6-5-7-18-13)8-16-14(17)10(3)11(4)15;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H
InChIKeyACPRMCRRWCJVLK-UHFFFAOYSA-N
MW292.85 g/mol
LogP1.96
Rot. Bonds5

About 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride

3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride (PubChem CID 120502267) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
PubChem CID120502267
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
SMILESCC(C)C1OCCCC1CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-9(2)13-12(6-5-7-18-13)8-16-14(17)10(3)11(4)15;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H
InChIKeyACPRMCRRWCJVLK-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
CID 120501252
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119819562
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
9-amino-N-[(2-propan-2-yloxan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991857
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride (CID 120502267) is 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride is CC(C)C1OCCCC1CNC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride?
The InChIKey is ACPRMCRRWCJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-9(2)13-12(6-5-7-18-13)8-16-14(17)10(3)11(4)15;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 120502267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).